A density functional theory study of bridging and terminal oxotitanium(IV) oligomeric and polymeric linear titanoxanes

Theoretical Chemistry Accounts

Volumn 108, Issue 1, 2002, Pages 46-52

  Mercuri, F ^a   Sgamellotti, A ^a   Re, N ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF CHIETI   (Italy)

Author keywords

Band structure; Density functional calculations; Electronic structure; Extended systems; Titanoxanes

Indexed keywords

CHEMICAL COMPOUND; OLIGOMER; OXOTITANIUM; TITANOXANE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; DENSITY; MOLECULAR INTERACTION;

EID: 0036024493     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-002-0360-z     Document Type: Article

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